methyl 4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]-3-methylsulfonyl-benzoate hydrochloride

Systemtic Name: methyl 4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]-3-methylsulfonyl-benzoate hydrochloride Openeye Name: methyl 4-[3-(4-carbamimidoylphenyl)-2-oxo-imidazolidin-1-yl]-3-methylsulfonyl-benzoate hydrochloride CAS Name: 4-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolidinyl]-3-methylsulfonylbenzoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[3-(4-carbamimidoylphenyl)-2-oxoimidazolidin-1-yl]-3-methylsulfonylbenzoate hydrochloride Traditional Name: 4-[3-(4-amidinophenyl)-2-keto-imidazolidin-1-yl]-3-mesyl-benzoic acid methyl ester hydrochloride Formula: C19H21ClN4O5S MolecularWeight: 452.91184

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCN(C2=O)C3=CC=C(C=C3)C(=N)N)S(=O)(=O)C.Cl

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCN(C2=O)C3=CC=C(C=C3)C(=N)N)S(=O)(=O)C.Cl

InChI

InChI=1S/C19H20N4O5S.ClH/c1-28-18(24)13-5-8-15(16(11-13)29(2,26)27)23-10-9-22(19(23)25)14-6-3-12(4-7-14)17(20)21;/h3-8,11H,9-10H2,1-2H3,(H3,20,21);1H